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Chemical structure of [Lys5,MeLeu9,Nle10]Neurokinin A(4-10)

GC76553

[Lys5,MeLeu9,Nle10]Neurokinin A(4-10)

Also known as (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]-methylamino]-4-methylpentanoyl]amino]hexanoic acid

[Lys5,MeLeu9,Nle10]Neurokinin A(4-10) (LMN-NKA), an analogue of Neurokinin A, is a selective and potent NK2R agonist

ChemicalCAS149270-28-0MW804.97FormulaC39H64N8O10
CAS number
149270-28-0
Molecular weight
804.97
Formula
C39H64N8O10
Solubility
DMSO: 25 mg/mL (31·06 mM; Need ultrasonic)
InChIKey
PLJWDMCXCWRSKI-HLYNNXGTSA-N
Catalogue number
GC76553
Brand
GLPBIO
Computed properties PubChem CID 71308478 · XLogP -2.8 · TPSA 292 Ų · H-bond donors 9
XLogP
-2.8
TPSA
292 Ų
H-bond donors
9
H-bond acceptors
12
Rotatable bonds
27
Heavy atoms
57

SMILES CCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)N

Computed descriptors from PubChem (CID 71308478), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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